(1R,2S,5R)-2-(1-hydroxyethyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxylic acid

C10H18N2O3 — CID 170451385

IUPAC(1R,2S,5R)-2-(1-hydroxyethyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxylic acid
SMILESCC(O)[C@H]1NC[C@H]2CC[C@@H]1CN2C(=O)O
InChIInChI=1S/C10H18N2O3/c1-6(13)9-7-2-3-8(4-11-9)12(5-7)10(14)15/h6-9,11,13H,2-5H2,1H3,(H,14,15)/t6?,7-,8-,9-/m1/s1
InChIKeyIBWUDICFLFBLFZ-FUZJYRNYSA-N
MW214.26 g/mol
LogP0.10
Rot. Bonds1

About (1R,2S,5R)-2-(1-hydroxyethyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxylic acid

(1R,2S,5R)-2-(1-hydroxyethyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxylic acid (PubChem CID 170451385) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (1R,2S,5R)-2-(1-hydroxyethyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxylic acid.

Molecular Properties

Compound Name(1R,2S,5R)-2-(1-hydroxyethyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxylic acid
PubChem CID170451385
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(1R,2S,5R)-2-(1-hydroxyethyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxylic acid
SMILESCC(O)[C@H]1NC[C@H]2CC[C@@H]1CN2C(=O)O
InChIInChI=1S/C10H18N2O3/c1-6(13)9-7-2-3-8(4-11-9)12(5-7)10(14)15/h6-9,11,13H,2-5H2,1H3,(H,14,15)/t6?,7-,8-,9-/m1/s1
InChIKeyIBWUDICFLFBLFZ-FUZJYRNYSA-N
XLogP0.10
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1R,2S,5R)-2-(1-hydroxyethyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxylic acid with MolForge

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Related Compounds

(1R,2S,5R)-2-[(1S)-1-hydroxyethyl]-3,6-diazabicyclo[3.2.2]nonane-6-carboxylic acid
CID 170451229
tert-butyl (1S,5R)-2-[(1R)-1-hydroxyethyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 171699654
(1S,2S,5R)-2-[(2S)-but-3-en-2-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 170305389
(1S)-5-(2-methylpropanoyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
CID 146571829
(1R,4R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 139345707
1-(3-azabicyclo[3.1.0]hexan-2-yl)ethanol
CID 171035054
1-(2,5-diazabicyclo[2.2.2]octan-2-yl)-3-methylbutan-2-one
CID 134237193
cyclopentyl(2,5-diazabicyclo[2.2.2]octan-2-yl)methanone
CID 175882089
bicyclo[2.2.0]hexane;2-hydroxypropanoic acid
CID 20517253
(1R,6S)-3,8-diazabicyclo[4.2.0]octane-8-carboxylic acid
CID 68697896
(2R)-2,5-dimethylpiperazine-1-carboxylic acid
CID 175405538
(2R,3S,4S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-3,4-diol
CID 55302311

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-2-(1-hydroxyethyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxylic acid?
The IUPAC name of (1R,2S,5R)-2-(1-hydroxyethyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxylic acid (CID 170451385) is (1R,2S,5R)-2-(1-hydroxyethyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxylic acid.
What is the SMILES notation for (1R,2S,5R)-2-(1-hydroxyethyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxylic acid?
The canonical SMILES for (1R,2S,5R)-2-(1-hydroxyethyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxylic acid is CC(O)[C@H]1NC[C@H]2CC[C@@H]1CN2C(=O)O.
What is the InChIKey of (1R,2S,5R)-2-(1-hydroxyethyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxylic acid?
The InChIKey is IBWUDICFLFBLFZ-FUZJYRNYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6(13)9-7-2-3-8(4-11-9)12(5-7)10(14)15/h6-9,11,13H,2-5H2,1H3,(H,14,15)/t6?,7-,8-,9-/m1/s1.
What are the key properties of (1R,2S,5R)-2-(1-hydroxyethyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxylic acid?
(1R,2S,5R)-2-(1-hydroxyethyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-2-(1-hydroxyethyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxylic acid is sourced from PubChem (CID 170451385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).